D051-0280 Screening compound: 2-(4-chloro-3-methylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)propanamide

D051-0280 Screening compound: 2-(4-chloro-3-methylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)propanamide
D051-0280 Screening compound: 2-(4-chloro-3-methylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D051-0280
2-(4-chloro-3-methylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D051-0280

Molecular Formula

C19H22ClNO5S (C19 H22 ClNO5 S)

Compound Name

2-(4-chloro-3-methylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)propanamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]propanamide

SMILES

CC(C(N(Cc1ccco1)C(CC1)CS1(=O)=O)=O)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C19H22ClNO5S/c1-13-10-16(5-6-18(13)20)26-14(2)19(22)21(11-17-4-3-8-25-17)15-7-9-27(23,24)12-15/h3-6,8,10,14-15H,7,9,11-12H2,1-2H3

InChI Key

GBBRRTDDGCLIBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04177794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.33

Polar Surface Area

58.398

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

D051-0280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D051-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D051-0280?
Check Price and Availability of D051-0280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D051-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D051-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D051-0280
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D051-0280 available by request